1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile

C13H14N4 — CID 84790994

IUPAC1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
SMILESCC(C)c1cc2ncc(C3(C#N)CC3)cn2n1
InChIInChI=1S/C13H14N4/c1-9(2)11-5-12-15-6-10(7-17(12)16-11)13(8-14)3-4-13/h5-7,9H,3-4H2,1-2H3
InChIKeyYUXKNEBHBMCRAZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile

1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile (PubChem CID 84790994) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
PubChem CID84790994
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
SMILESCC(C)c1cc2ncc(C3(C#N)CC3)cn2n1
InChIInChI=1S/C13H14N4/c1-9(2)11-5-12-15-6-10(7-17(12)16-11)13(8-14)3-4-13/h5-7,9H,3-4H2,1-2H3
InChIKeyYUXKNEBHBMCRAZ-UHFFFAOYSA-N
XLogP2.41
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
CID 84774895
ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 168939363
1-pyrazolo[1,5-a]pyrimidin-6-ylcyclobutane-1-carbonitrile
CID 84774894
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84786283
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84806251
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594
1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 172625573
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
CID 84808052
1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile
CID 152893427
1-(3-fluoro-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 84777395
1-(6-chloro-3-pyridinyl)cyclopropane-1-carbonitrile
CID 22159357
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile (CID 84790994) is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile is CC(C)c1cc2ncc(C3(C#N)CC3)cn2n1.
What is the InChIKey of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
The InChIKey is YUXKNEBHBMCRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9(2)11-5-12-15-6-10(7-17(12)16-11)13(8-14)3-4-13/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84790994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).